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Information card for entry 7030989
Preview
| Coordinates | 7030989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H100 F24 K2 N4 O18 U |
|---|---|
| Calculated formula | C88 H100 F24 K2 N4 O18 U |
| SMILES | [U](=O)(=O)(N(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(N(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(N(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.[K]123456([O]7CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC7)[O](C)CC[O]6C.[K]123456([O]7CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC7)[O](C)CC[O]6C |
| Title of publication | Uranyl-oxo coordination directed by non-covalent interactions. |
| Authors of publication | Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 28 |
| Pages of publication | 10844 - 10851 |
| a | 14.2737 ± 0.0004 Å |
| b | 22.2064 ± 0.0007 Å |
| c | 32.918 ± 0.001 Å |
| α | 90° |
| β | 95.921 ± 0.002° |
| γ | 90° |
| Cell volume | 10378.3 ± 0.5 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1237 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1636 |
| Weighted residual factors for all reflections included in the refinement | 0.1822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7030989.cif |
| 180015 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/09. |
7030989.cif |
| 119490 | 2014-07-07 | cif/ Updating files of 7030985, 7030986, 7030987, 7030988, 7030989 Original log message: Adding full bibliography for 7030985--7030989.cif. |
7030989.cif |
| 113974 | 2014-05-19 | cif/ Adding structures of 7030985, 7030986, 7030987, 7030988, 7030989 via cif-deposit CGI script. |
7030989.cif |
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Users of the data should acknowledge the original authors of the
structural data.